ChemicalBook--->CAS DataBase List--->1096-38-4

1096-38-4

1096-38-4 Structure

1096-38-4 Structure
IdentificationMore
[Name]

16-Dehydroprogesterone
[CAS]

1096-38-4
[Synonyms]

16-DEHYDROPROGESTERONE
4,16-PREGNADIEN-3,20-DIONE
4,16-PREGNADIENE-3,20-DIONE
pregna-4,16-diene-3,20-dione
16-DEHYDROPROGESTERONE CRYSTALLINE
17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
17-Acetylandrosta-4,16-diene-3-one
NSC-11037
ZK-47520
[EINECS(EC#)]

214-142-8
[Molecular Formula]

C21H28O2
[MDL Number]

MFCD00003651
[Molecular Weight]

312.45
[MOL File]

1096-38-4.mol
Chemical PropertiesBack Directory
[Melting point ]

185-187 °C(lit.)
[Boiling point ]

461.0±45.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
[form ]

Solid
[color ]

Off-White to Pale Yellow
[InChI]

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
[InChIKey]

VRRHHTISESGZFN-RKFFNLMFSA-N
[SMILES]

C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(C(=O)C)=CC3)CC2
[CAS DataBase Reference]

1096-38-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332-H351
[Precautionary statements ]

P280
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S22:Do not breathe dust .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Progesterone-->16-Allopregnen-3beta-ol-20-one
[Preparation Products]

Pregnanedione
Hazard InformationBack Directory
[Uses]

16-Dehydroprogesterone is used in the direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids. 16-Dehydroprogesterone is a form of Progesterone (P755900), a steroid hormone produced by the corpus luteum that induces maturation and secretory activity of the uterine endothelium; suppresses ovulation. Progesterone is implicated in the etiology of breast cancer.
[Definition]

ChEBI: 16,17-didehydroprogesterone is a 20-oxo steroid, a 3-oxo-Delta(4) steroid and an enone. It is functionally related to a progesterone.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

16-Dehydroprogesterone(1096-38-4)1HNMR
16-Dehydroprogesterone(1096-38-4)13CNMR
16-Dehydroprogesterone(1096-38-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1096-38-4(sigmaaldrich)
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